John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9mK08SIpLBU SpectraBase Spectrum ID=88y81UvzqfV

(accessed ).
TRANS-6-CHLORO-9-(3-HYDROXY-1-OXA-4-THIACYCLOHEXAN-2-YL-9H-PURINE
SpectraBase Compound ID 9mK08SIpLBU
InChI InChI=1S/C9H9ClN4O2S/c10-6-5-7(12-3-11-6)14(4-13-5)8-9(15)17-2-1-16-8/h3-4,8-9,15H,1-2H2/t8-,9-/m0/s1
InChIKey SVVNWBIZUSCNIS-IUCAKERBSA-N
Mol Weight 272.71 g/mol
Molecular Formula C9H9ClN4O2S
Exact Mass 272.013475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88y81UvzqfV
Name TRANS-6-CHLORO-9-(3-HYDROXY-1-OXA-4-THIA-CYCLOHEXAN-2-YL)-9H-PURINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClN4O2S
InChI InChI=1S/C9H9ClN4O2S/c10-6-5-7(12-3-11-6)14(4-13-5)8-9(15)17-2-1-16-8/h3-4,8-9,15H,1-2H2/t8-,9-/m0/s1
InChIKey SVVNWBIZUSCNIS-IUCAKERBSA-N
Literature Reference Author W.A.SZAREK,B.M.PINTO,M.IWAKAWA
Literature Reference Citation CAN.J.CHEM.,63,2162(1985)
Literature Reference DOI 10.1139/v85-355
Molecular Weight 272.709 g/mol
Solvent DMSO-D6
Source File Reference UWED1271
SpectraBase Batch ID 2LlMXFv5Lh4